UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41529768
41529768

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Popular Name: 4-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]cinnoline-3-carbonitrile 4-[[(2S)-2-hydroxy-2-phenyl-ethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 4.05 -11.36 2 5 0 82 290.326 4 ↓

Analogs

41529765
41529765

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Popular Name: 4-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]cinnoline-3-carbonitrile 4-[[(2R)-2-hydroxy-2-phenyl-ethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 4.11 -11.21 2 5 0 82 290.326 4 ↓

Analogs

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Popular Name: 4-(phenethylamino)cinnoline-3-carbonitrile 4-(phenethylamino)cinnoline-3-ca…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.51 7.23 -12.11 1 4 0 62 274.327 4 ↓

Analogs

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Popular Name: 4-[2-(4-methoxyphenyl)ethylamino]cinnoline-3-carbonitrile 4-[2-(4-methoxyphenyl)ethylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 6.53 -14.06 1 5 0 71 304.353 5 ↓

Analogs

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Popular Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]cinnoline-3-carbonitrile 4-[2-(3,4-dimethoxyphenyl)ethyla…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.16 6.42 -16.99 1 6 0 80 334.379 6 ↓

Analogs

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Popular Name: 4-[2-(2-fluorophenyl)ethylamino]cinnoline-3-carbonitrile 4-[2-(2-fluorophenyl)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.63 7.27 -12.62 1 4 0 62 292.317 4 ↓

Analogs

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Popular Name: 4-[2-(3-fluorophenyl)ethylamino]cinnoline-3-carbonitrile 4-[2-(3-fluorophenyl)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 7.29 -13.86 1 4 0 62 292.317 4 ↓

Analogs

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Popular Name: 4-[2-(4-fluorophenyl)ethylamino]cinnoline-3-carbonitrile 4-[2-(4-fluorophenyl)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.68 7.29 -13.66 1 4 0 62 292.317 4 ↓

Analogs

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Popular Name: 4-[2-(2-chlorophenyl)ethylamino]cinnoline-3-carbonitrile 4-[2-(2-chlorophenyl)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.14 7.64 -11.97 1 4 0 62 308.772 4 ↓

Analogs

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Popular Name: 4-[2-(3-chlorophenyl)ethylamino]cinnoline-3-carbonitrile 4-[2-(3-chlorophenyl)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.17 7.74 -13.02 1 4 0 62 308.772 4 ↓

Analogs

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Popular Name: 4-[2-(4-chlorophenyl)ethylamino]cinnoline-3-carbonitrile 4-[2-(4-chlorophenyl)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.19 7.75 -12.91 1 4 0 62 308.772 4 ↓

Analogs

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Popular Name: 4-[2-(2-methoxyphenyl)ethylamino]cinnoline-3-carbonitrile 4-[2-(2-methoxyphenyl)ethylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 6.58 -12.69 1 5 0 71 304.353 5 ↓

Analogs

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Popular Name: 4-[2-(3-methoxyphenyl)ethylamino]cinnoline-3-carbonitrile 4-[2-(3-methoxyphenyl)ethylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.55 6.53 -14.15 1 5 0 71 304.353 5 ↓

Analogs

41530348
41530348

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Popular Name: 4-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]-6-methyl-cinnoline-3-carbonitrile 4-[[(2R)-2-hydroxy-2-phenyl-ethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 4.79 -10.39 2 5 0 82 304.353 4 ↓

Analogs

41530345
41530345

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Popular Name: 4-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]-6-methyl-cinnoline-3-carbonitrile 4-[[(2S)-2-hydroxy-2-phenyl-ethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 4.71 -10.6 2 5 0 82 304.353 4 ↓

Analogs

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Popular Name: 6-methyl-4-(phenethylamino)cinnoline-3-carbonitrile 6-methyl-4-(phenethylamino)cinno…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.94 7.88 -11.21 1 4 0 62 288.354 4 ↓

Analogs

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Popular Name: 4-[2-(4-methoxyphenyl)ethylamino]-6-methyl-cinnoline-3-carbonitrile 4-[2-(4-methoxyphenyl)ethylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 7.18 -13.06 1 5 0 71 318.38 5 ↓

Analogs

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Popular Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-cinnoline-3-carbonitrile 4-[2-(3,4-dimethoxyphenyl)ethyla…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 7.08 -16.05 1 6 0 80 348.406 6 ↓

Analogs

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Popular Name: 4-[2-(2-fluorophenyl)ethylamino]-6-methyl-cinnoline-3-carbonitrile 4-[2-(2-fluorophenyl)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.05 7.92 -12.48 1 4 0 62 306.344 4 ↓

Analogs

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Popular Name: 4-[2-(3-fluorophenyl)ethylamino]-6-methyl-cinnoline-3-carbonitrile 4-[2-(3-fluorophenyl)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.08 7.95 -12.95 1 4 0 62 306.344 4 ↓

Analogs

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Popular Name: 4-[2-(4-fluorophenyl)ethylamino]-6-methyl-cinnoline-3-carbonitrile 4-[2-(4-fluorophenyl)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.10 7.95 -12.83 1 4 0 62 306.344 4 ↓

Analogs

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Popular Name: 4-[2-(2-chlorophenyl)ethylamino]-6-methyl-cinnoline-3-carbonitrile 4-[2-(2-chlorophenyl)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.57 8.3 -11.6 1 4 0 62 322.799 4 ↓

Analogs

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Popular Name: 4-[2-(3-chlorophenyl)ethylamino]-6-methyl-cinnoline-3-carbonitrile 4-[2-(3-chlorophenyl)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.59 8.39 -12.09 1 4 0 62 322.799 4 ↓

Analogs

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Popular Name: 4-[2-(4-chlorophenyl)ethylamino]-6-methyl-cinnoline-3-carbonitrile 4-[2-(4-chlorophenyl)ethylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.62 8.4 -12.01 1 4 0 62 322.799 4 ↓

Analogs

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Popular Name: 4-[2-(2-methoxyphenyl)ethylamino]-6-methyl-cinnoline-3-carbonitrile 4-[2-(2-methoxyphenyl)ethylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.95 7.24 -12.1 1 5 0 71 318.38 5 ↓

Analogs

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Popular Name: 4-[2-(3-methoxyphenyl)ethylamino]-6-methyl-cinnoline-3-carbonitrile 4-[2-(3-methoxyphenyl)ethylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.97 7.18 -13.26 1 5 0 71 318.38 5 ↓

Parameters Provided:

ring.id = 544299
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 544299 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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